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Name | SMR000047809 |
---|---|
Molecular formula | C27H25N3O5 |
IUPAC name | 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one |
Molecular weight | 471.513 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.1 |
Synonyms | 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxyphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one BDBM61406 MLS000889797 (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxyphenyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one AC1NTX1V [ Show all ] |
Inchi Key | BNFLLENUFLBETF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H25N3O5/c1-34-21-11-10-16(14-22(21)35-2)12-13-30-26(17-6-5-7-18(31)15-17)23-24(28-29-25(23)27(30)33)19-8-3-4-9-20(19)32/h3-11,14-15,26,31-32H,12-13H2,1-2H3,(H,28,29) |
PubChem CID | 666598 |
ChEMBL | CHEMBL1528960 |
IUPHAR | N/A |
BindingDB | 61406 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
558115 | G-protein coupled receptor 55 | Q9Y2T6 | GPR55 | Homo sapiens (Human) | 319 |
558114 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
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